EFIELD_ENERGY_TOL (.param)
Keyword type
Real
Description
This keyword controls the tolerance for accepting convergence of the field constants during a linear response to electric field calculation. This parameter has the units of volume.
The difference between maximum and minimum second order energies over EFIELD_CONVERGENCE_WIN iterations must be less than this value.
Default
1×10-5 Å
Example
EFIELD_ENERGY_TOL : 0.000002 ANG**3